2-Hydroxyethyl disulfide
PubChem CID: 15906
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| Compound Synonyms | 2-Hydroxyethyl disulfide, 1892-29-1, 2,2'-Dithiodiethanol, Ethanol, 2,2'-dithiobis-, Bis(2-hydroxyethyl) disulfide, Hydroxyethyl disulfide, 2,2'-Dithiobisethanol, Diethanol disulfide, 2,2'-disulfanediyldiethanol, 2-Hydroxyethanedisulfide, 3,4-Dithia-1,6-hexanediol, 2-(2-hydroxyethyldisulfanyl)ethanol, 2-Hydroxyethane disulfide, beta-Hydroxyethyl disulfide, USAF TH-9, 2-Mercaptoethanol disulfide, ETHANOL, 2,2'-DITHIODI-, NSC 33920, MFCD00002906, .beta.-Hydroxyethyl disulfide, Bis(2-hydroxyethyl) disulfide, tech. 90%, DTXSID4044404, CHEBI:43136, 2,2'-Disulfanediylbis(ethan-1-ol), NSC-33920, 45543L74BS, HED, EINECS 217-576-6, BRN 1735851, UNII-45543L74BS, 3,6-hexanediol, BIS(2-HYDROXYETHYL)DISULFIDE, 2-hydroxyethyldisulfide, Ethanol,2'-dithiodi-, 2-hydroxyethyldisulphide, Ethanol,2'-dithiobis-, 2-hydroxy ethyldisulfide, 2-hydroxy-ethyl disulfide, WLN: Q2SS2Q, SCHEMBL94190, 4-01-00-02442 (Beilstein Handbook Reference), di-(2-hydroxyethyl) disulfide, 2,2/'-DITHIODIETHANOL, CHEMBL1233278, DTXCID2024404, KYNFOMQIXZUKRK-UHFFFAOYSA-, HYDROXYETHYL DISULPHIDE, 2-, NSC33920, Tox21_302181, AKOS015912792, DB02486, SB83851, NCGC00255960-01, 2-Hydroxyethyl disulfide, technical grade, BP-30239, BS-43795, PD007932, SY050022, 2-[(2-hydroxyethyl)disulfanyl]ethan-1-ol, CAS-1892-29-1, B3587, B4263, CS-0113483, CS-0181622, NS00021796, E82252, EN300-761579, 2-Hydroxyethyl disulfide, technical grade, 90%, 2,2'-Disulfanediylbis(ethan-1-ol),50% in Water, 2,2 inverted exclamation mark -Disulfanediyldiethanol, Q27093475, Z1255415413, InChI=1/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 91.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCSSCCO |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic disulfides |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxyethyldisulfanyl)ethanol |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | -0.5 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H10O2S2 |
| Inchi Key | KYNFOMQIXZUKRK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 2,2'-Dithiobisethanol, 3,4-Dithia-1,6-hexanediol, beta-Hydroxyethyl disulfide, b-Hydroxyethyl disulfide, b-Hydroxyethyl disulphide, beta-Hydroxyethyl disulphide, Β-hydroxyethyl disulfide, Β-hydroxyethyl disulphide, 2-Hydroxyethyl disulphide, HEDS compound, Bis(2-hydroxyethyl) disulfide, Bis-(2-hydroxyethyl)-disulfide, 2-HYDROXYETHYL disulfide, ethanol,2,2' dithiobis, ethanol,2,2'-dithiobis |
| Esol Class | Very soluble |
| Functional Groups | CO, CSSC |
| Compound Name | 2-Hydroxyethyl disulfide |
| Kingdom | Organic compounds |
| Exact Mass | 154.012 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.012 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 154.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2 |
| Smiles | C(CSSCCO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyldisulfides |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4